12,13-Dimethoxy-5,9,10,14b-tetrahydroisoquino(2,1-d)(1,4)benzodiazepin-6(7H)-one

Base Information

• Chemical Name: 12,13-Dimethoxy-5,9,10,14b-tetrahydroisoquino(2,1-d)(1,4)benzodiazepin-6(7H)-one
• CAS No.: 41334-70-7
• Molecular Formula: C19H20N2O3
• Molecular Weight: 324.3737
• DSSTox Substance ID: DTXSID00961627
• Nikkaji Number: J68.833I
• Mol file: 41334-70-7.mol

Synonyms:BRN 0706257;12,13-Dimethoxy-5,9,10,14b-tetrahydroisoquino(2,1-d)(1,4)benzodiazepin-6(7H)-one;41334-70-7;12,13-dimethoxy-7,9,10,14b-tetrahydro-5H-isoquinolino[2,1-d][1,4]benzodiazepin-6-one;Isoquino(2,1-d)(1,4)benzodiazepin-6(7H)-one, 5,9,10,14b-tetrahydro-12,13-dimethoxy-;Maybridge2_000670;DTXSID00961627;HMS1304O10;CCG-46867;LS-85309;SR-01000636538-1;12,13-Dimethoxy-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepin-6-ol;5,9,10,14b-Tetrahydro-12,13-dimethoxyisoquino[2,1-d][1,4]benzodiazepin-6(7H)-one

Chemical Property of 12,13-Dimethoxy-5,9,10,14b-tetrahydroisoquino(2,1-d)(1,4)benzodiazepin-6(7H)-one

Chemical Property:

• Vapor Pressure: 8.72E-10mmHg at 25°C
• Boiling Point: 491°C at 760 mmHg
• Flash Point: 250.7°C
• Density: 1.3g/cm³
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 324.14739250
• Heavy Atom Count: 24
• Complexity: 472

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C2C3C4=CC=CC=C4NC(=O)CN3CCC2=C1)OC

Technology Process of 12,13-Dimethoxy-5,9,10,14b-tetrahydroisoquino(2,1-d)(1,4)benzodiazepin-6(7H)-one

There total 2 articles about 12,13-Dimethoxy-5,9,10,14b-tetrahydroisoquino(2,1-d)(1,4)benzodiazepin-6(7H)-one which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

2,3-Dimethoxy-8-oxo-5,7,8,9-tetrahydro-6H-9-aza-6a-azonia-benzo[6,7]cyclohepta[1,2-a]naphthalene; bromide (41334-75-2) → DL-12,13-Dimethoxy-5,9,10,14b-tetrahydro-7H-isochinolino<2,1-d>-1,4-benzdiazepin-6-on (41334-70-7)

Guidance literature:

With hydrogenchloride; In ethanol; at 20 ℃; mercury and calomel electrode;

DOI:10.1002/ardp.19813140604

Reference yield:

→ DL-12,13-Dimethoxy-5,9,10,14b-tetrahydro-7H-isochinolino<2,1-d>-1,4-benzdiazepin-6-on (41334-70-7)

Guidance literature:

Immoniumbromid IIIa,NaBH4;

DOI:10.1007/BF00771509

upstream raw materials:

2,3-Dimethoxy-8-oxo-5,7,8,9-tetrahydro-6H-9-aza-6a-azonia-benzo[6,7]cyclohepta[1,2-a]naphthalene; bromide